LMST01031261
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.1160    8.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    7.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    6.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1160    6.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0473    6.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9789    6.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9103    6.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9103    7.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9789    8.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0473    7.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9789    9.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9103    9.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417    9.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417    8.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7050    8.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7050    9.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7735    9.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   10.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0473    8.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7735   10.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5180    6.1803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    8.3818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9586    7.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417    7.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2624   10.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6359   11.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9862   11.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4982   10.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3607   11.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2231   10.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0855   11.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2231    9.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7766    6.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    9.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3607   12.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
  3 21  1  1  0  0  0
  8 22  1  1  0  0  0
  9 23  1  6  0  0  0
 14 24  1  6  0  0  0
 17 25  1  6     0  0
 20 26  1  0     0  0
 20 27  1  6     0  0
 26 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 32  1  0     0  0
  7 33  1  1     0  0
  1 34  1  6     0  0
 29 35  2  0     0  0
M  END
> <LM_ID>
LMST01031261

> <COMMON_NAME>
Sinugrandisterol A

> <SYSTEMATIC_NAME>
Ergosta-5,24(28)-dien-1alpha,3beta,7beta-triol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WTDIIMLHUGIIHL-VQYWUDLPSA-N

> <INCHI>
InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-26-23(11-12-27(21,22)5)28(6)19(14-24(26)30)13-20(29)15-25(28)31/h14,16,18,20-26,29-31H,3,7-13,15H2,1-2,4-6H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28+/m1/s1

> <SMILES>
[C@@H]1(O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)CCC(=C)C(C)C)CC[C@@]4([H])[C@]3([H])[C@@H](O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16656568

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2619369

> <CITATION>
31202682

$$$$